| SpectraBase Spectrum ID |
3iDpHy2bq4 |
| Name |
2-[2-bromanyl-5-tert-butyl-3-(cyanomethyl)phenyl]ethanenitrile |
| Alternate Name(s) |
2-[2-bromo-5-tert-butyl-3-(cyanomethyl)phenyl]acetonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15BrN2 |
| InChI |
InChI=1S/C14H15BrN2/c1-14(2,3)12-8-10(4-6-16)13(15)11(9-12)5-7-17/h8-9H,4-5H2,1-3H3 |
| InChIKey |
HRHDUKVCNYJYQD-UHFFFAOYSA-N |
| Molecular Weight |
291.192 g/mol |
| SMILES |
c1(cc(CC#N)c(c(c1)CC#N)Br)C(C)(C)C |
| SPLASH |
splash10-004i-0090000000-582e4a8f942f21a98bfe |
| Source of Spectrum |
F-56-49-16 |
| Wiley ID |
855469 |
![2-[2-bromanyl-5-tert-butyl-3-(cyanomethyl)phenyl]ethanenitrile](/api/spectrum/3iDpHy2bq4/structure.png?h=300&w=458 "2-[2-bromanyl-5-tert-butyl-3-(cyanomethyl)phenyl]ethanenitrile")
